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Physicochemical properties (MW, LogP) of all entries.
| BIMP_ID | Name | Mol Weight | LogP | HBD | HBA | TPSA | Rotatable Bonds |
|---|---|---|---|---|---|---|---|
|
Toddacoumaquinone
|
406.40
|
3.6
|
0
|
7
|
92.04
|
4
|
|
|
Longikaurin B
|
406.50
|
0.6
|
3
|
7
|
113.29
|
3
|
|
|
Bidwillon B
|
406.50
|
5.2
|
2
|
5
|
75.99
|
3
|
|
|
Bornylene
|
136.23
|
3.6
|
0
|
0
|
0
|
0
|
|
|
Brachystamide B
|
411.60
|
7.9
|
1
|
3
|
47.56
|
14
|
|
|
Macarangin
|
422.50
|
6.3
|
4
|
6
|
111.13
|
6
|
|
|
(+)-Tephropurpurin
|
424.40
|
4
|
1
|
7
|
91.29
|
6
|
|
|
(1S,14R,22R)-14,22-dihydroxy-17,18-dimethoxy-7,7-dimethyl-2,8,21-trioxapentacyclo[12.8.0.03,12.04,9.015,20]docosa-3(12),4(9),5,10,15,17,19-heptaen-13-one
|
426.40
|
2.5
|
2
|
8
|
103.68
|
2
|
|
|
Mangostanol
|
426.50
|
4.7
|
3
|
7
|
109.36
|
3
|
|
|
Epipachysamine E
|
428.70
|
7.3
|
1
|
2
|
32.34
|
4
|
|
|
(2R,3R,4R,5R)-3,4-Dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)tetrahydrofuran
|
432.50
|
4.3
|
0
|
7
|
64.61
|
8
|
|
|
2-[3,4-Dihydroxy-5-(3-methyl-but-2-enyl)-phenyl]-8-(1,1-dimethyl-allyl)-3,5,7-trihydroxy-chromen-4-one
|
438.50
|
6
|
5
|
7
|
131.36
|
5
|
|
|
DL-2-Bornanol
|
154.25
|
2.7
|
1
|
1
|
20.23
|
0
|
|
|
Diphyllin
|
380.30
|
3.6
|
1
|
7
|
83.45
|
3
|
|
|
Epiyangambin
|
446.50
|
2.9
|
0
|
8
|
73.84
|
8
|
|
|
(1S,4R,6S,7E,11R,12S)-14,16-dihydroxy-1,5,5,8-tetramethyl-12-(2-methylpropyl)-19-oxatetracyclo[9.8.0.04,6.013,18]nonadeca-7,13,15,17-tetraene-15,17-dicarbaldehyde
|
454.60
|
6.6
|
2
|
5
|
83.83
|
4
|
|
|
Phosphoenolpyruvate
|
168.04
|
-1.1
|
3
|
6
|
113.87
|
3
|
|
|
Camphor, (1S,4S)-(-)-
|
152.23
|
2.2
|
0
|
1
|
17.07
|
0
|
|
|
4-[(2S,3S)-3-(3,5-dihydroxyphenyl)-4-hydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydro-1-benzofuran-2-yl]benzene-1,2-diol
|
470.50
|
5
|
6
|
7
|
130.61
|
4
|
|
|
(1S,2S,7S,8R,11S,14S,15R,18R,20R)-20-hydroxy-7,8,14,15,19,19-hexamethyl-21-oxahexacyclo[18.2.2.01,18.02,15.05,14.06,11]tetracos-4-ene-11-carboxylic acid
|
470.70
|
6.3
|
2
|
4
|
66.76
|
1
|
|
|
4-[[(Z)-3-carboxyprop-2-enoyl]oxymethyl]-10-formyl-3,9-dihydroxy-1,7-dimethyl-6-oxobenzo[b][1,4]benzodioxepine-2-carboxylic acid
|
472.40
|
2.5
|
4
|
12
|
193.96
|
7
|
|
|
Mallotophilippen C
|
474.60
|
7.9
|
3
|
5
|
86.99
|
8
|
|
|
Methyl 3,4,5-trihydroxy-2-(6,7,13,14-tetrahydroxy-3,10-dioxo-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4(16),5,7,11,13-hexaen-5-yl)benzoate
|
484.30
|
1.5
|
7
|
13
|
228.33
|
3
|
|
|
Vaganine D
|
484.70
|
6
|
1
|
4
|
58.64
|
6
|
|
|
CID 10051197
|
488.70
|
5
|
4
|
5
|
97.99
|
2
|
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